SCHEMBL9768815

SCHEMBL9768815

CONC(=O)c1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ P2RX1 P51575 3/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CCR6 P51684 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10802363 0.94 TDP1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11296069 0.89 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11386973 0.88 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10671105 0.86 TDP1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10552727 0.85 TDP1 (0.76) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10553434 0.85 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11474498 0.84 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11298356 0.84 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10775899 0.84 KMT2A (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10661295 0.84 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073188-A Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1991-12-17 — — US disclosed
US-4937381-A Herbicidal amides of 4-trifluoromethyl-3'-carboxyl-4'-nitro-diphenyl ethers ROHM AND HAAS COMPANY (US) 1990-06-26 — — US disclosed
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